Mol:LBF21503HO04
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 24 0 0 1 0 0 0 0 0999 V2000 | + | 25 24 0 0 1 0 0 0 0 0999 V2000 |
| − | -3.6046 -0.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6046 -0.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7796 -0.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7796 -0.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2356 -0.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2356 -0.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3927 -0.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3927 -0.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5019 -0.1291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5019 -0.1291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0322 -0.1291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0322 -0.1291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8514 -0.1291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8514 -0.1291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3759 -0.1291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3759 -0.1291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1487 -0.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1487 -0.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8631 -0.5170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8631 -0.5170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5392 -0.1291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5392 -0.1291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5392 -1.2419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5392 -1.2419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4244 -1.7984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4244 -1.7984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1940 -0.1291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1940 -0.1291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7503 -1.0928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7503 -1.0928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8631 -1.0928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8631 -1.0928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9551 -0.1291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9551 -0.1291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5116 -1.0928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5116 -1.0928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5116 0.8346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5116 0.8346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9551 1.7984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9551 1.7984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8311 0.5221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8311 0.5221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0711 -1.6779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0711 -1.6779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7686 0.9621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7686 0.9621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6239 0.9621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6239 0.9621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9439 0.9071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9439 0.9071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 21 2 1 0 0 0 0 | + | 21 2 1 0 0 0 0 |
| − | 2 22 1 0 0 0 0 | + | 2 22 1 0 0 0 0 |
| − | 3 23 1 0 0 0 0 | + | 3 23 1 0 0 0 0 |
| − | 5 24 1 0 0 0 0 | + | 5 24 1 0 0 0 0 |
| − | 6 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
| − | 25 7 1 0 0 0 0 | + | 25 7 1 0 0 0 0 |
| − | 1 9 1 0 0 0 0 | + | 1 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 11 5 1 4 0 0 0 | + | 11 5 1 4 0 0 0 |
| − | 4 11 1 0 0 0 0 | + | 4 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 8 14 1 4 0 0 0 | + | 8 14 1 4 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 16 15 1 4 0 0 0 | + | 16 15 1 4 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 17 19 1 0 0 0 0 | + | 17 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 1 21 2 0 0 0 0 | + | 1 21 2 0 0 0 0 |
| − | 3 22 2 0 0 0 0 | + | 3 22 2 0 0 0 0 |
| − | 4 23 2 0 0 0 0 | + | 4 23 2 0 0 0 0 |
| − | 6 24 2 0 0 0 0 | + | 6 24 2 0 0 0 0 |
| − | 8 25 2 0 0 0 0 | + | 8 25 2 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF21503HO04 | + | ID LBF21503HO04 |
| − | FORMULA C21H32O4 | + | FORMULA C21H32O4 |
| − | EXACTMASS 348.23005951199997 | + | EXACTMASS 348.23005951199997 |
| − | AVERAGEMASS 348.47637999999995 | + | AVERAGEMASS 348.47637999999995 |
| − | SMILES C(CC=CC=CC(OO)CC=CCC=CCCCC(OC)=O)=CCC | + | SMILES C(CC=CC=CC(OO)CC=CCC=CCCCC(OC)=O)=CCC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 24 0 0 1 0 0 0 0 0999 V2000
-3.6046 -0.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7796 -0.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2356 -0.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3927 -0.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5019 -0.1291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0322 -0.1291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8514 -0.1291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3759 -0.1291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1487 -0.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8631 -0.5170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5392 -0.1291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5392 -1.2419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4244 -1.7984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1940 -0.1291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7503 -1.0928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8631 -1.0928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9551 -0.1291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5116 -1.0928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5116 0.8346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9551 1.7984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8311 0.5221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0711 -1.6779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7686 0.9621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6239 0.9621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9439 0.9071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21 2 1 0 0 0 0
2 22 1 0 0 0 0
3 23 1 0 0 0 0
5 24 1 0 0 0 0
6 7 1 0 0 0 0
25 7 1 0 0 0 0
1 9 1 0 0 0 0
9 10 1 0 0 0 0
11 5 1 4 0 0 0
4 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
8 14 1 4 0 0 0
14 15 1 0 0 0 0
16 15 1 4 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
17 19 1 0 0 0 0
19 20 1 0 0 0 0
1 21 2 0 0 0 0
3 22 2 0 0 0 0
4 23 2 0 0 0 0
6 24 2 0 0 0 0
8 25 2 0 0 0 0
S SKP 5
ID LBF21503HO04
FORMULA C21H32O4
EXACTMASS 348.23005951199997
AVERAGEMASS 348.47637999999995
SMILES C(CC=CC=CC(OO)CC=CCC=CCCCC(OC)=O)=CCC
M END
